2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide

C17H17N5OS — CID 58974797

IUPAC2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)s1
InChIInChI=1S/C17H17N5OS/c1-10-6-11(2)8-12(7-10)21-17-19-5-4-13(22-17)16-20-9-14(24-16)15(23)18-3/h4-9H,1-3H3,(H,18,23)(H,19,21,22)
InChIKeyMBWOVTYELSEDQR-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.32
Rot. Bonds4

About 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide

2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 58974797) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID58974797
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)s1
InChIInChI=1S/C17H17N5OS/c1-10-6-11(2)8-12(7-10)21-17-19-5-4-13(22-17)16-20-9-14(24-16)15(23)18-3/h4-9H,1-3H3,(H,18,23)(H,19,21,22)
InChIKeyMBWOVTYELSEDQR-UHFFFAOYSA-N
XLogP3.32
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide (CID 58974797) is 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)s1.
What is the InChIKey of 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MBWOVTYELSEDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-10-6-11(2)8-12(7-10)21-17-19-5-4-13(22-17)16-20-9-14(24-16)15(23)18-3/h4-9H,1-3H3,(H,18,23)(H,19,21,22).
What are the key properties of 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide?
2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58974797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).